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Mixed quantum-classical (MQC) dynamics is a class of computational theoretical chemistry methods tailored to simulate non-adiabatic (NA) processes in molecular and supramolecular chemistry. Such methods are characterized by: 1. * Propagation of nuclear dynamics through classical trajectories; 2. * Propagation of the electrons (or fast particles) through quantum methods; 3. * A feedback algorithm between the electronic and nuclear subsystems to recover nonadiabatic information.

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  • Mixed quantum-classical (MQC) dynamics is a class of computational theoretical chemistry methods tailored to simulate non-adiabatic (NA) processes in molecular and supramolecular chemistry. Such methods are characterized by: 1. * Propagation of nuclear dynamics through classical trajectories; 2. * Propagation of the electrons (or fast particles) through quantum methods; 3. * A feedback algorithm between the electronic and nuclear subsystems to recover nonadiabatic information. (en)
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  • Mixed quantum-classical (MQC) dynamics is a class of computational theoretical chemistry methods tailored to simulate non-adiabatic (NA) processes in molecular and supramolecular chemistry. Such methods are characterized by: 1. * Propagation of nuclear dynamics through classical trajectories; 2. * Propagation of the electrons (or fast particles) through quantum methods; 3. * A feedback algorithm between the electronic and nuclear subsystems to recover nonadiabatic information. (en)
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  • Mixed quantum-classical dynamics (en)
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